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Home > Nitro Compounds > 5215-92-9
5215-92-9 | 4-methyl-4-nitropentan-1-ol
CAS No: 5215-92-9 Catalog No: AG0197C5 MDL No:MFCD00854220
Product Description
Catalog Number:
AG0197C5
Chemical Name:
4-methyl-4-nitropentan-1-ol
CAS Number:
5215-92-9
Molecular Formula:
C6H13NO3
Molecular Weight:
147.1723
MDL Number:
MFCD00854220
IUPAC Name:
4-methyl-4-nitropentan-1-ol
InChI:
InChI=1S/C6H13NO3/c1-6(2,7(9)10)4-3-5-8/h8H,3-5H2,1-2H3
InChI Key:
DBYMNHYVMTWSLQ-UHFFFAOYSA-N
SMILES:
OCCCC([N+](=O)[O-])(C)C
NSC Number:
20668
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.174g/mol
Monoisotopic Mass:
147.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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